{"id":"W2336003456","doi":"10.1021/acs.jmedchem.5b00621","title":"Introduction of Peripheral Carboxylates to Decrease the Charge on Tm<sup>3+</sup> DOTAM-Alkyl Complexes: Implications for Detection Sensitivity and in Vivo Toxicity of PARACEST MRI Contrast Agents","year":2015,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; Ontario Institute for Cancer Research","keywords":"Chemistry; Alkyl; Carboxylate; In vivo; Amide; Aspartic acid; Molecule; Chelation; Stereochemistry; Biocompatibility; Nuclear magnetic resonance; Amino acid; Organic chemistry; Biochemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001599558,0.0003550857,0.0002883576,0.00007169838,0.00008124855,0.0002118306,0.0002827163,0.0003948573,0.0007537137],"category_scores_gemma":[0.0003492732,0.0001292605,0.0001318709,0.00009931208,0.0002612381,0.0003071709,0.0001527427,0.0004027367,0.0002229826],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001812172,"about_ca_system_score_gemma":0.0001546007,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002206602,"about_ca_topic_score_gemma":0.0003240501,"domain_scores_codex":[0.9999027,0.00002531909,0.00001313149,0.00002046327,0.00002044435,0.00001791615],"domain_scores_gemma":[0.9997683,0.00006041273,0.0000755018,0.00002646172,0.00003981022,0.00002949171],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001221773,0.0000121652,0.00004880627,0.000032522,0.000003651749,0.00002197606,0.000008384503,0.00005982727,0.9986826,0.00006568491,0.000009759047,0.0009325425],"study_design_scores_gemma":[0.00001296219,0.0001744076,0.0003447,0.000001569983,0.000009285157,0.00009186364,0.00000333291,0.0001282637,0.9986839,0.00001005873,0.000537448,0.000002200429],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919932,0.001356945,0.004968643,0.0001301381,0.00002290096,0.0000718856,0.0001291102,0.0000749092,0.001252161],"genre_scores_gemma":[0.9899587,0.0009360184,0.007805098,0.0001191883,0.000009425989,0.00004063363,0.0001324289,0.00002822372,0.000970331],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007537137,"threshold_uncertainty_score":0.002521396,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02588596025717511,"score_gpt":0.2775793387880195,"score_spread":0.2516933785308444,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}